N-[4-[4-(naphthalene-1-carbonyl)piperazine-1-carbonyl]phenyl]pyridine-2-carboxamide

C28H24N4O3 — CID 56796102

IUPACN-[4-[4-(naphthalene-1-carbonyl)piperazine-1-carbonyl]phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCN(C(=O)c3cccc4ccccc34)CC2)cc1)c1ccccn1
InChIInChI=1S/C28H24N4O3/c33-26(25-10-3-4-15-29-25)30-22-13-11-21(12-14-22)27(34)31-16-18-32(19-17-31)28(35)24-9-5-7-20-6-1-2-8-23(20)24/h1-15H,16-19H2,(H,30,33)
InChIKeyRYOCSTBCJUXTRT-UHFFFAOYSA-N
MW464.53 g/mol
LogP4.09
Rot. Bonds4

About N-[4-[4-(naphthalene-1-carbonyl)piperazine-1-carbonyl]phenyl]pyridine-2-carboxamide

N-[4-[4-(naphthalene-1-carbonyl)piperazine-1-carbonyl]phenyl]pyridine-2-carboxamide (PubChem CID 56796102) has the molecular formula C28H24N4O3 and a molecular weight of 464.53 g/mol. Its IUPAC name is N-[4-[4-(naphthalene-1-carbonyl)piperazine-1-carbonyl]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(naphthalene-1-carbonyl)piperazine-1-carbonyl]phenyl]pyridine-2-carboxamide
PubChem CID56796102
Molecular FormulaC28H24N4O3
Molecular Weight464.53 g/mol
Exact Mass464.18
IUPAC NameN-[4-[4-(naphthalene-1-carbonyl)piperazine-1-carbonyl]phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCN(C(=O)c3cccc4ccccc34)CC2)cc1)c1ccccn1
InChIInChI=1S/C28H24N4O3/c33-26(25-10-3-4-15-29-25)30-22-13-11-21(12-14-22)27(34)31-16-18-32(19-17-31)28(35)24-9-5-7-20-6-1-2-8-23(20)24/h1-15H,16-19H2,(H,30,33)
InChIKeyRYOCSTBCJUXTRT-UHFFFAOYSA-N
XLogP4.09
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.53
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(pyrrolidine-1-carbonyl)phenyl]naphthalene-1-carboxamide
CID 2986145
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-phenylmethanone
CID 1074720
N-[4-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]phenyl]pyridine-2-carboxamide
CID 46492519
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 2169062
[4-(hydroxyamino)phenyl]-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone
CID 139375717
4-(pyridine-2-carbonylamino)benzoic acid
CID 16770258
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 108569250
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 46584805
2-phenylsulfanyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyridine-3-carboxamide
CID 55532652
6-[[4-(azepane-1-carbonyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 119181942
N-[3-[[1-(naphthalene-1-carbonyl)piperidine-4-carbonyl]amino]phenyl]pyridine-4-carboxamide
CID 55610513
N-[4-[(4-piperidin-1-ylphenyl)carbamoyl]phenyl]pyridine-2-carboxamide
CID 46489538

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(naphthalene-1-carbonyl)piperazine-1-carbonyl]phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[4-[4-(naphthalene-1-carbonyl)piperazine-1-carbonyl]phenyl]pyridine-2-carboxamide (CID 56796102) is N-[4-[4-(naphthalene-1-carbonyl)piperazine-1-carbonyl]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[4-(naphthalene-1-carbonyl)piperazine-1-carbonyl]phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[4-(naphthalene-1-carbonyl)piperazine-1-carbonyl]phenyl]pyridine-2-carboxamide is O=C(Nc1ccc(C(=O)N2CCN(C(=O)c3cccc4ccccc34)CC2)cc1)c1ccccn1.
What is the InChIKey of N-[4-[4-(naphthalene-1-carbonyl)piperazine-1-carbonyl]phenyl]pyridine-2-carboxamide?
The InChIKey is RYOCSTBCJUXTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O3/c33-26(25-10-3-4-15-29-25)30-22-13-11-21(12-14-22)27(34)31-16-18-32(19-17-31)28(35)24-9-5-7-20-6-1-2-8-23(20)24/h1-15H,16-19H2,(H,30,33).
What are the key properties of N-[4-[4-(naphthalene-1-carbonyl)piperazine-1-carbonyl]phenyl]pyridine-2-carboxamide?
N-[4-[4-(naphthalene-1-carbonyl)piperazine-1-carbonyl]phenyl]pyridine-2-carboxamide has a molecular weight of 464.53 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(naphthalene-1-carbonyl)piperazine-1-carbonyl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 56796102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).